CID 6333

Bromochloromethane

Structural Information

Molecular Formula

SMILES

C(Cl)Br

InChI

InChI=1S/CH2BrCl/c2-1-3/h1H2

InChIKey

JPOXNPPZZKNXOV-UHFFFAOYSA-N

Compound name

bromo(chloro)methane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 39
References: 7440
Patents: 127.90284 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.91012	113.1
[M+Na]+	150.89206	117.1
[M+NH4]+	145.93666	119.6
[M+K]+	166.86600	116.7
[M-H]-	126.89556	112.7
[M+Na-2H]-	148.87751	116.7
[M]+	127.90229	112.7
[M]-	127.90339	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe